SCHEMBL31001202

SCHEMBL31001202

CCCCN[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 10/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ PYGB P11216 1/20 0.42
▸ OGA O60502 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30029591 1.00 GBA1 (0.49) GBA1KDM4ELMNACYP2D6CYP2C19
SCHEMBL21059535 1.00 GBA1 (0.49) GBA1KDM4ELMNACYP2D6CYP2C19
SCHEMBL13281076 0.95 GBA1 (0.56) GBA1KDM4ELMNACYP2D6CYP2C19
SCHEMBL20897004 0.95 GBA1 (0.56) GBA1KDM4ELMNACYP2D6CYP2C19
SCHEMBL13281078 0.95 GBA1 (0.56) GBA1KDM4ELMNACYP2D6CYP2C19
SCHEMBL23906986 0.95 GBA1 (0.56) GBA1KDM4ELMNACYP2D6CYP2C19
SCHEMBL3832277 0.95 GBA1 (0.56) GBA1KDM4ELMNACYP2D6CYP2C19
SCHEMBL10786697 0.94 GBA1 (0.59) GBA1KDM4ELMNACYP2D6CYP2C19
SCHEMBL23787746 0.94 GBA1 (0.59) GBA1KDM4ELMNACYP2D6CYP2C19
Hexane SCHEMBL28784867 0.94 GBA1 (0.59) GBA1KDM4ELMNACYP2D6CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240271140-A1 LPA INHIBITOR AND USE THEREOF CHENGDU XINZHENGHE PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2024-08-15 — — US disclosed
EP-4403633-A1 LPA INHIBITOR AND USE THEREOF Genoval Therapeutics Co., Ltd. (CN) 2024-07-24 — — EP disclosed
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